摘要
将系统科学的哲学观和方法论凝练为3个哲学命题和3个主要方法。系统合金科学(SSA)包含两个部分:系统合金科学(SSA)理论框架和合金特征原子排列设计(CAAD)应用工程。SSA理论框架分为两个分支:以实验(EX)技术为基础和以第一原理(FP)金属间化合物电子理论为基础的SSA理论框架。SSA理论框架层次是:特征原子势能和体积的分离理论,特征晶体的价键理论,特征晶体热力学性质的分离理论,合金相特征原子排列晶体学,合金相混合特征晶体热力学,合金相转变、相平衡和相图的混合特征晶体综合理论。各理论层次之间的关系由结构单元序列链、公式链和信息链描述。
The ideology and methodology of systematic science of alloys （SSA） have been extracted as three scientific philosophy propositions and three main methods. The SSA contains two parts： SSA theoretic framework and applied engineering of characteristic atom arranging design （CAAD） for alloys. The SSA theoretic framework is divided into two subdivisions： the FP-SSA framework based on the first-principles （FP） electronic theory of intermetallics and the EX-SSA framework based on experimental （EX） techniques. The theoretical levels include separated theory of potential energies and volumes for characteristic atoms, valence bond theory of characteristic crystals, separated theory of thermodynamic properties for characteristic crystals, characteristic atom arrangement crystallography of alloy phases, thermodynamic of mixed characteristic crystals for alloy phases and comprehensive theory of mixed characteristic crystals for phase transformation, phase equilibrium and phase diagrams. The correlations of them are described by structural unit sequence-, equation- and information- chains.
出处
《材料导报》
EI
CAS
CSCD
北大核心
2011年第1期1-10,共10页
Materials Reports
基金
国家自然科学基金(51071181)
湖南省自然科学基金(2010FJ4034)
